[4-(1-adamantylcarbonyl)piperazin-1-yl]-(5-bromanyl-3-methyl-1-benzofuran-2-yl)methanone

Systemtic Name: [4-(1-adamantylcarbonyl)piperazin-1-yl]-(5-bromanyl-3-methyl-1-benzofuran-2-yl)methanone Openeye Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(5-bromo-3-methyl-benzofuran-2-yl)methanone CAS Name: [4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-(5-bromo-3-methyl-2-benzofuranyl)methanone IUPAC Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone Traditional Name: [4-(adamantane-1-carbonyl)piperazino]-(5-bromo-3-methyl-benzofuran-2-yl)methanone Formula: C25H29BrN2O3 MolecularWeight: 485.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H29BrN2O3/c1-15-20-11-19(26)2-3-21(20)31-22(15)23(29)27-4-6-28(7-5-27)24(30)25-12-16-8-17(13-25)10-18(9-16)14-25/h2-3,11,16-18H,4-10,12-14H2,1H3